Malic Acid

Malic Acid

SCHEMBL9406592

O=C(O)/C=C/C(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)CC(O)C(=O)O.O=C(O)CC(OC(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.56

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Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Malic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
TET2 Q6N021 6/20 0.35
TET3 O43151 2/20 0.35
TET1 Q8NFU7 1/20 0.35
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TSHR P16473 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
OR51E2 Q9H255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL5586404 0.90 TSHR (0.41) SMN1; SMN2TSHRSLC22A6TP53EGLN1
Malic Acid SCHEMBL9245261 0.90 SMN1; SMN2 (0.68) SMN1; SMN2TET2TET3TET1KDM4A
Maleic Acid SCHEMBL5586403 0.90 TSHR (0.41) SMN1; SMN2TSHRSLC22A6TP53EGLN1
Malic Acid SCHEMBL646455 0.86 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1KDM4A
Malic Acid SCHEMBL9719878 0.86 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1KDM4A
Malic Acid SCHEMBL9719873 0.86 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1KDM4A
Malic Acid SCHEMBL1533801 0.86 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1KDM4A
Malic Acid SCHEMBL3061502 0.86 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1KDM4A
Malic Acid SCHEMBL27302361 0.86 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1KDM4A
Malic Acid SCHEMBL969854 0.84 SMN1; SMN2 (0.71) SMN1; SMN2TET2TET3TET1KDM4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298634-A Reacting maleate or mixture with 2,2-oxodisuccinate, fumarate and malate, calcium, magnesium divalent cations and rendering reaction mixture alkaline by adding hydroxide THE PROCTER & GAMBLE COMPANY (US) 1994-03-29 US disclosed